Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | MYC | P01106 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28455570 | 0.80 | IDO1 (0.53) | GAACYP1A2CYP2C19ALDH1A1MAPT | |
| SCHEMBL2185781 | 0.74 | GAA (0.47) | GAAKDM4EHTR2CALDH1A1POLB | |
| SCHEMBL951160 | 0.74 | GAA (0.44) | GAAKDM4EHTR3EHTR3BHTR1A | |
| SCHEMBL16302917 | 0.74 | GAA (0.50) | GAAKDM4EHTR3EHTR3BHTR1A | |
| SCHEMBL20911925 | 0.74 | HCRTR1 (0.40) | KDM4EMAPTNPSR1MYCL3MBTL1 | |
| SCHEMBL2592089 | 0.74 | ALDH1A1 (0.41) | GAAKDM4EHTR3EHTR3BHTR1A | |
| SCHEMBL29543738 | 0.74 | MAPK1 (0.49) | GAAKDM4EALDH1A1MAPTNPSR1 | |
| SCHEMBL2172244 | 0.74 | MAPK1 (0.49) | GAAKDM4EALDH1A1MAPTNPSR1 | |
| SCHEMBL10289389 | 0.74 | HTR3E (0.40) | GAAKDM4ECYP1A2CYP2C19HTR3E | |
| SCHEMBL2625458 | 0.74 | GAA (0.46) | GAAKDM4ECYP1A2CYP2C19HTR3E |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1246799-A1 | SUBSTITUTED PYRROLE MANNICH BASES TO COMBAT PAIN AND ALLERGIC REACTIONS | Grünenthal GmbH (DE) | 2002-10-09 | — | — | EP | disclosed |
| WO-2001047878-A1 | SUBSTITUTED PYRROLE MANNICH BASES TO COMBAT PAIN AND ALLERGIC REACTIONS | Grünenthal GmbH (DE) | 2001-07-05 | — | — | WO | disclosed |
| WO-2001047882-A2 | SUBSTANCE LIBRARY WHICH CAN BE OBTAINED BY REACTING ALDEHYDES WITH SECONDARY AMINES, ACID CHLORIDES AND NAPHTHOL, PYRROLE AND/OR INDOLE COMPOUNDS | Grünenthal GmbH (DE) | 2001-07-05 | — | — | WO | disclosed |